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Substance Name: Cyclohexaneacetic acid, 2-oxo-1-phenyl-
RN: 3645-89-4
InChIKey: VIKJTJUHWIWYNO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-O3

Molecular Weight

  • 232.277
 
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Names and Synonyms

Synonyms

  • 2-Oxo-1-phenylcyclohexaneacetic acid
  • 4-10-00-02882 (Beilstein Handbook Reference)
  • BRN 2130059

Systematic Name

  • Cyclohexaneacetic acid, 2-oxo-1-phenyl-

Registry Numbers

CAS Registry Number

  • 3645-89-4

System Generated Number

  • 0003645894

Structure Descriptors

InChI

1S/C14H16O3/c15-12-8-4-5-9-14(12,10-13(16)17)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,16,17)

InChIKey

VIKJTJUHWIWYNO-UHFFFAOYSA-N

Smiles

C1([C@@](CCCC1)(CC(=O)O)c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   Farmaco, Edizione Scientifica. Vol. 20, Pg. 393, 1965.